[gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?

David McGiven davidmcgivenn at gmail.com
Fri Sep 5 12:10:11 CEST 2014

Dear Gromacs users,

I just compiled gromacs 5.0 with the same compiler (gcc 4.7.2), same OS
(RHEL 6) same configuration options and basically everything than my
previous gromacs 4.6.5 compilation and when doing one of our typical
simulations, I get worst performance.

4.6.5 does 45 ns/day
5.0 does 35 ns/day

Do you have any idea of what could be happening ?


Best Regards,

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